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3-(2-Adamantyl)propionitrile
SpectraBase Compound ID A9ugFusXwi0
InChI InChI=1S/C13H19N/c14-3-1-2-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,1-2,4-8H2/t9-,10+,11-,12+,13?
InChIKey KANSEWMVEJOUAE-HTYKTIJTSA-N
Mol Weight 189.3 g/mol
Molecular Formula C13H19N
Exact Mass 189.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6BnCfVRJo0
Name 3-(2-Adamantyl)propionitrile
Alternate Name(s) 3-(2-Adamantyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N
InChI InChI=1S/C13H19N/c14-3-1-2-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,1-2,4-8H2/t9-,10+,11-,12+,13?
InChIKey KANSEWMVEJOUAE-HTYKTIJTSA-N
Molecular Weight 189.302 g/mol
SMILES C(CCC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])#N
SPLASH splash10-002o-9500000000-7154ed02a46cd0e713c8
Source of Spectrum J-66-7326-3
Wiley ID 1568318